1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

C15H24N2O3 — CID 792457

IUPAC1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(C)CC2)c(OC)c1OC
InChIInChI=1S/C15H24N2O3/c1-16-7-9-17(10-8-16)11-12-5-6-13(18-2)15(20-4)14(12)19-3/h5-6H,7-11H2,1-4H3
InChIKeySQQDLCAQLUXIPC-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.46
Rot. Bonds5

About 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 792457) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID792457
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(C)CC2)c(OC)c1OC
InChIInChI=1S/C15H24N2O3/c1-16-7-9-17(10-8-16)11-12-5-6-13(18-2)15(20-4)14(12)19-3/h5-6H,7-11H2,1-4H3
InChIKeySQQDLCAQLUXIPC-UHFFFAOYSA-N
XLogP1.46
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 792457) is 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(C)CC2)c(OC)c1OC.
What is the InChIKey of 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is SQQDLCAQLUXIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-16-7-9-17(10-8-16)11-12-5-6-13(18-2)15(20-4)14(12)19-3/h5-6H,7-11H2,1-4H3.
What are the key properties of 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 280.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 792457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).